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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2

Competing Magnetic Interactions and Field-Induced Metamagnetic Transition in Highly Crystalline Phase-Tunable Iron Oxide Nanorods

The inherent existence of multi phases in iron oxide nanostructures highlights the significance of them being investigated deliberately to understand and possibly control the phases. Here, the effects of annealing at 250 °C with a variable duration on the bulk magnetic and structural properties of high aspect ratio biphase iron oxide nanorods with ferrimagnetic Fe3O4 and antiferromagnetic α-Fe2O3 are explored. Increasing annealing time under a free flow of oxygen enhanced the α-Fe2O3 volume fraction and improved the crystallinity of the Fe3O4 phase, identified in changes in the magnetization as a function of annealing time. A critical annealing time of approximately 3 h maximized the presence of both phases, as observed via an enhancement in the magnetization and an interfacial pinning effect. This is attributed to disordered spins separating the magnetically distinct phases which tend to align with the application of a magnetic field at high temperatures. The increased antiferromagnetic phase can be distinguished due to the field-induced metamagnetic transitions observed in structures annealed for more than 3 h and was especially prominent in the 9 h annealed sample. Our controlled study in determining the changes in volume fractions with annealing time will enable precise control over phase tunability in iron oxide nanorods, allowing custom-made phase volume fractions in different applications ranging from spintronics to biomedical applications.

36 MATERIALS SCIENCE↗

Highly Crystalline Graphite Synthesis from Coal with a Sustainable Process

Synthetic graphite is made predominantly from a petroleum-derived needle coke using the Acheson method. This involves heating the needle coke at elevated temperatures of ~ 3000 °C for more than 7 days. High-temperature heating is the most technically challenging, expensive, and energy-intensive aspect of graphite manufacturing. We will present a strategy for synthesizing high-quality graphite powder from coal using a low-temperature catalytic graphitization process. The use of a catalyst drops the processing temperatures to 1500 °C and processing times to a few hours. The graphite produced with this process has been characterized and has been shown to have comparable physical/chemical properties with commercially sourced graphite materials. We will also present a sustainable method to recover and reuse the catalyst and acid used to retrieve the catalyst. This overcomes a long-standing technical hurdle associated with using catalysts for manufacturing graphite.

crystalline graphite powder↗

Sucrose‐Based Dense, Pure, and Highly‐Crystalline Graphitic Materials for Lithium‐Ion Batteries

At present, most synthetic graphite materials commonly used as anode active ingredients in lithium-ion cells are produced by graphitization of petroleum cokes. The carbon footprint associated with synthetic graphite production is significant. Thus, bio-derived and cheap precursors, such as saccharides, would be an attractive alternative for the sustainable production of graphitic carbons. However, they are non-graphitizing at temperatures as high as 3000 °C, preserving the curved, fullerene-like structure of graphene layers and microporosity. Consequently, many lithium ions are consumed during the formation of solid electrolyte interphase films and passivated in the nanovoids. Here, a method for the production of pure, crystalline, graphitic materials based on sucrose disposed of microporosity is presented, which also works with a variety of saccharides and other organic precursors of hard carbons—generally considered incapable of such transformation. This process employs catalytic graphitization by Si particles at high temperatures. Finally, the electrochemical response of such derived sucrose-based graphite in Li-ion half-cells demonstrated its feasibility to serve as an anode active material for rechargeable Li-ion batteries.

Si particles↗

A Solution-Processable High-Modulus Crystalline Artificial Solid Electrolyte Interphase for Practical Lithium Metal Batteries

The solid electrolyte interphase (SEI) has been identified as a key challenge for Li metal anodes. The brittle and inhomogeneous native SEI generated by parasitic reactions between Li and liquid electrolytes can devastate battery performance; therefore, artificial SEIs (ASEIs) have been proposed as an effective strategy to replace native SEIs. Herein, as a collaboration between academia and industrial R&D teams, a multifunctional (crystalline, high modulus, and robust, Li + ion conductive, electrolyte-blocking, and solution processable) ASEI material, LiAl-FBD (where “FBD” refers to 2,2,3,3-tetra-fluoro-1,4-butanediol), for improving Li metal battery performance is designed and synthesized. The LiAl-FBD crystal structure consists of Al 3+ ions bridged by FBD 2– ligands to form anion clusters while Li + ions are loosely bound at the periphery, enabling an Li + ion conductivity of 9.4 × 10 –6 S cm –1 . Further, the fluorinated, short ligands endow LiAl-FBD with electrolyte phobicity and high modulus. The ASEI is found to prevent side reactions and extend the cycle life of Li metal electrodes. Specifically, pairing LiAl-FBD coated 50 μm thick Li with industrial 3.5 mAh cm –2 NMC811 cathode and 2.8 μL mAh –1 lean elec-trolyte, the Li metal full cells show superior cycle life compared to bare ones, achieving 250 cycles at 1 mA cm –2 .

25 ENERGY STORAGE↗

Enhancing exciton diffusion by reducing energy disorder in organic solar cells

A highly crystalline, highly emissive, and wide-bandgap polymer AC174 with an extremely small Stokes shift is designed and synthesized in water, and is used to reduce system energetic disorder and increase the exciton diffusion length of the classical PM6:Y6 blend system. AC174 is incompatible with PM6 and Y6, improves molecular packing, and reduces system energetic disorder. The long-range Förster resonance energy transfer between the donor and acceptor is enhanced, and the exciton diffusion constant and exciton lifetime are increased, leading to a longer exciton diffusion length and more efficient exciton dissociation and charge generation. The addition of AC174 simultaneously improves the open-circuit voltage, short-circuit current density (J SC ) and fill factor of PM6:Y6 devices; especially the highest internal quantum efficiency approaches 100%, and the highest J SC is 28.4 mA cm –2 . Ternary devices with 5% AC174 in the donors achieve a power conversion efficiency of 17.2%, higher than those of the parent binary devices based on PM6:Y6 (15.9%) and AC174:Y6 (3.24%).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Engineering Nanostructured Interfaces of Hexagonal Boron Nitride-Based Materials for Enhanced Catalysis

Hexagonal boron nitrides (h-BNs) are attractive two-dimensional (2D) nanomaterials that consist of alternating B and N atoms and layered honeycomb-like structures similar to graphene. They have exhibited unique properties and promising application potentials in the field of energy storage and transformation. Recent advances in utilizing h-BN as a metal-free catalyst in the oxidative dehydrogenation of propane have triggered broad interests in exploring h-BN in catalysis. However, h-BN-based materials as robust nanocatalysts in heterogeneous catalysis are still underexplored because of the limited methodologies capable of affording h-BN with controllable crystallinity, abundant porosity, high purity, and defect engineering, which played important roles in tuning their catalytic performance. Here, in this account, our recent progress in addressing the above issues will be highlighted, including the synthesis of high-quality h-BN-based nanomaterials via both bottom-up and top-down pathways and their catalytic utilization as metal-free catalysts or as supports to tune the interfacial electronic properties on the metal nanoparticles (NPs). First, we will focus on the large-scale fabrication of h-BN nanosheets (h-BNNSs) with high crystallinity, improved surface area, satisfactory purity, and tunable defects. h-BN derived from the traditional approaches using boron trioxide and urea as the starting materials generally contains carbon/oxygen impurities and has low crystallinity. Several new strategies were developed to address the issues. Using bulk h-BN as the precursor via gas exfoliation in liquid nitrogen, single- or few-layered h-BNNS with abundant defects could be generated. Amorphous h-BN precursors could be converted to h-BN nanosheets with high crystallinity assisted by a magnesium metallic flux via a successive dissolution/precipitation/crystallization procedure. The as-fabricated h-BNNS featured high crystallinity and purity as well as abundant porosity. An ionothermal metathesis procedure was developed using inorganic molten salts (NaNH 2 and NaBH 4 ) as the precursors. The h-BN scaffolds could be produced on a large scale with high yield, and the as-afforded materials possessed high purity and crystallinity. Second, utilization of the as-prepared h-BN library as metal-free catalysts in dehydrogenation and hydrogenation reactions will be summarized, in which they exhibited enhanced catalytic activity over the counterparts from the previous synthesis method. Third, the interface modulation between metal NPs with the as-prepared defects’ abundant h-BN support will be highlighted. The h-BN-based strong metal–support interaction (SMSI) nanocatalysts were constructed without involving reducible metal oxides via the ionothermal procedure we developed by deploying specific inorganic metal salts, acting as robust nanocatalysts in CO oxidation. Under conditions simulated for practical exhaust systems, promising catalytic efficiency together with high thermal stability and sintering resistance was achieved. Across all of these examples, unique insights into structures, defects, and interfaces that emerge from in-depth characterization through microscopy, spectroscopy, and diffraction will be highlighted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Proceedings of the Flat-plate Solar Array Project Research Forum on High-efficiency Crystalline Silicon Solar Cells

The high-efficiency crystalline silicon solar cells research forum addressed high-efficiency concepts, surface-interface effects, bulk effects, modeling and device processing. The topics were arranged into six interactive sessions, which focused on the state-of-the-art of device structures, identification of barriers to achieve high-efficiency cells and potential ways to overcome these barriers.

Kachare, R.↗

Iron-Catalyzed Cross-[2 + 2] Cycloaddition of Butadiene and α,ω-Dienes for Ductile and Chemically Recyclable Poly(oligocyclobutanes)

Poly(divinyloligocyclobutanes) (pDVOCBs) are a distinct class of butadiene-derived, chemically recyclable polyolefins prepared from iron-catalyzed [2 + 2] cycloaddition followed by ruthenium-catalyzed ADMET polymerization. These polymers are highly crystalline, with high melting temperatures and unique rotator phases. The high degree of crystallinity in these materials not only leads to high stiffness over a broad temperature range but also results in brittle failure for polymers of modest molecular weights. Iron-catalyzed cross-[2 + 2] cycloaddition of butadiene and α,ω-dienes was accomplished, where the number of methylene units between the four-membered rings was systematically varied. Subsequent ADMET polymerization of the resulting telechelic oligomers provided a new class of chemically recyclable polyolefins that exhibit distinct thermomechanical properties. Specifically, methylene units induce changes in crystallinity that, in combination with the increased molecular weight, favored the formation of stable necks upon tensile deformation, with ∼10× enhanced ductility and improved toughness compared to pDVOCB. Through combined experimental and computational studies, the effects of methylene spacers on the crystal-to-rotator transition of the cyclobutane polymers were established. Ultimately, these methylene-modified cyclobutane polymers expand the range of properties and potential applications of this class of recyclable polyolefins.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-efficiency crystalline silicon technology development

The rationale for pursuing high efficiency crystalline silicon technology research is discussed. Photovoltaic energy systems are reviewed as to their cost effectiveness and their competitiveness with other energy systems. The parameters of energy system life are listed and briefly reviewed.

Prince, M. B.↗

Alkaline salt-promoted construction of hydrophilic and nitrogen deficient graphitic carbon nitride with highly improved photocatalytic efficiency

Graphitic carbon nitride (g-C 3 N 4 ) possesses fascinating merits, but its practical applications are limited by the inferior properties of limited visible-light sorption, rapid recombination of photo-excited charge carriers and low electrical conductivity. Introduction of N-defects is an efficient approach to tune its optical properties, but strategies capable of creating abundant vacancies and simultaneously maintaining the highly crystalline architecture are still limited and highly desired. In this work, a facile construction methodology was demonstrated to afford g-C 3 N 4 with abundant N vacancies, high crystallinity, a hydrophilic surface structure, a small particle size, and an increased surface area under neat and mild conditions. Furthermore, the essence of our approach lies in the treatment of the bulk g-C 3 N 4 precursor with an alkaline salt (LiN(SiMe 3 ) 2 ) with a low melting point, moderate nucleophilicity, and easy removal procedures. The unique structural properties of the afforded ND-g-C 3 N 4 allow for a significantly redshifted absorption edge and enhanced charge carrier separation, leading to superior photocatalytic hydrogen evolution performance three times that obtained by pristine g-C 3 N 4 . The modification strategy developed herein sheds light on the fabrication of g-C 3 N 4 -based materials with improved photocatalytic efficiency via efficient introduction of N defects, variation of the surface structure, and retention of the high crystallinity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Phase-Controllable Synthesis of Ultrathin Molybdenum Nitride Crystals Via Atomic Substitution of MoS 2

MXenes are emerging members in the two-dimensional (2D) material family and are highlighted by their high electrical conductivity. Among different MXenes, molybdenum-based MXenes, especially molybdenum nitrides (MoN x ), are rarely accessible through the common synthetic approach of selective etching due to the absence of stable MAX phase precursors. In this work, we apply the atomic substitution approach to synthesize two phases of ultrathin nonlayered molybdenum nitrides (i.e., Mo 5 N 6 and δ-MoN) from 1.6 to 42.9 nm thickness by converting layered MoS 2 under different temperatures. The morphology and 2D nature of MoS 2 are well remained in both phases. These newly created 2D materials are further characterized using Raman spectroscopy, high-resolution transmission electron microscopy, and electrical measurements, suggesting that both phases are highly crystalline and highly conductive down to the thickness of a few nanometers. Moreover, Ohmic contacts are formed between the ultrathin nitrides and Cr/Au electrodes, suggesting the great potential of the obtained nitrides for nanoelectronic device applications. The stability test shows that the Ohmic contact is well maintained after 4 weeks under ambient conditions with a slight degradation in conductivity. Furthermore, this study extends the 2D family by providing highly conductive members, offering desired building blocks for solid-state nanoelectronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Ferroelectric Al1 − xBxN–GaN heterostructures

This report demonstrates Al0.93B0.7N thin films grown epitaxially on n-type GaN (0002)/c-plane sapphire substrates by reactive magnetron sputtering at 300 °C. At 200 nm film thickness, the Al0.93B0.07N layers exhibit partially relaxed substrate-induced epitaxial strain, a 0.16° wide (0002) rocking curve, in-plane crystallographic registry, and sub-nanometer surface roughness. Electrically, the stack shows robust hysteresis over three frequency decades, a remanent polarization of ∼125 μC/cm2, a strongly frequency dependent coercive field, highly uniform dc leakage currents, and endurance >106 field cycles. This report validates possibilities for ferroelectric nitride integration into conventional III-nitride heterostructures with high crystalline fidelity, high electrical resistivity, and persistent hysteresis. Such materials are synthesizable at thermal budgets and temperatures compatible with back-end-of-the-line boundary conditions.

Physics↗

Effect of structure and morphology on thermal and electrical properties of polycarbonate film capacitors

Research is reported to identify polycarbonate (PC) film characteristics and fabrication procedures which extend the reliable performance range of PC capacitors to 125 C without derating, and establish quality control techniques and transfer technology to US PC film manufacturers. The approach chosen to solve these problems was to develop techniques for fabricating biaxially oriented (BX) 2 microns or thinner PC film with a low dissipation factor up to 140 C; isotropic dimensional stability; high crystallinity; and high voltage breakdown strength. The PC film structure and morphology was then correlated to thermal and electrical capacitor behavior. Analytical techniques were developed to monitor film quality during capacitor fabrication, and as a result, excellent performance was demonstrated during initial capacitor testing.

Yen, S. P. S.↗

Use of low energy hydrogen ion implants in high efficiency crystalline silicon solar cells

This program is a study of the use of low energy hydrogen ion implantation for high efficiency crystalline silicon solar cells. The first quarterly report focuses on two tasks of this program: (1) an examination of the effects of low energy hydrogen implants on surface recombination speed; and (2) an examination of the effects of hydrogen on silicon regrowth and diffusion in silicon. The first part of the project focussed on the measurement of surface properties of hydrogen implanted silicon. Low energy hydrogen ions when bombarded on the silicon surface will create structural damage at the surface, deactivate dopants and introduce recombination centers. At the same time the electrically active centers such as dangling bonds will be passivated by these hydrogen ions. Thus hydrogen is expected to alter properties such as the surface recombination velocity, dopant profiles on the emitter, etc. In this report the surface recombination velocity of a hydrogen emplanted emitter was measured.

Fonash, S. J.↗

Crystalline Mesoporous Complex Oxides: Porosity-Controlled Electromagnetic Response

A colloidal--amphiphile--templated growth is developed to synthesize mesoporous complex oxides with highly crystalline frameworks. Organosilane-containing colloidal templates can convert into thermally stable silica that prevents the overgrowth of crystalline grains and the collapse of the mesoporosity. Using ilmenite CoTiO 3 as an example, the high crystallinity and the extraordinary thermal stability of its mesoporosity are demonstrated at 800 °C for 48 h under air. This synthetic approach is general and applicable to a series of complex oxides that are not reported with mesoporosity and high crystallinity, such as NiTiO 3 , FeTiO 3 , ZnTiO 3 , Co 2 TiO 4 , Zn 2 TiO 4 , MgTi 2 O 5 , and FeTi 2 O 5 . Those novel materials make it possible to build up correlations between mesoscale porosity and surface-sensitive physicochemical properties, e.g., electromagnetic response. For mesoporous CoTiO 3 , there is a 3 K increase of its antiferromagnetic ordering temperature, compared with that of nonporous one. Lastly, this finding provides a general guideline to design mesoporous complex oxides that allow exploring their unique properties different from bulk materials.

36 MATERIALS SCIENCE↗

Ambient Temperature Graphitization Based on Mechanochemical Synthesis

Graphite has become a critical material because of its high supply risk and essential applications in energy industries. Its present synthesis still relies on an energy-intensive thermal treatment pathway (Acheson process) at about 3000 °C. Herein, a mechanochemical approach is demonstrated to afford highly crystalline graphite nanosheets at ambient temperature. The key to the success of our methodology lies in the successive decomposition and rearrangement of a carbon nitride framework driven by a denitriding reaction in the presence of magnesium. The afforded graphite features high crystallinity, a high degree of graphitization, a thin nanosheet architecture, and a small flake size, which endow it with superior efficiency in lithium-ion batteries as an anode material in terms of rate capacity and cycle stability. Finally, the mild and cost-effective pathway used in this study could be a promising alternative for graphite production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗